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CS-W001157 4
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Benzo[b]thiophene-6-carbonitrile

  • CAS No. 154650-81-4

  • Cat. No. CS-0094302
  • Purity≥97%
  • MDL No.MFCD16877454

*For research and further manufacturing use only, not for direct human use.

Benzo[b]thiophene-6-carbonitrile|CS-0094302

Structure of 154650-81-4

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General Information

  • CAS No. 154650-81-4
  • Cat. No. CS-0094302
  • Purity ≥97%
  • MDL No. MFCD16877454
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅NS
  • Molecular Weight 159.21
  • Synonym(s) 1-benzothiophene-6-carbonitrile
  • SMILES N#CC1=CC=C(C=CS2)C2=C1

Synthesis

  • Route1

    References

    • TARGEGEN INC. Patent: WO2009/49028 A1, 2009 ; Location in patent: Page/Page column 88-89 ; WO 2009/049028 A1
  • Route2
    • 6-Cyano-Benzo[b]thiophene-2-carboxylic acid|CS-0745563
      105212-28-0
    • ~93%
    • In-stock
      Benzo[b]thiophene-6-carbonitrile|CS-0094302
      154650-81-4

    References

    • Allen, Daniel; Callaghan, Owen; Cordier, Frederic L.; Dobson, David R.; Harris, John R.; Hotten, Terry M.; Owton, W. Martin; Rathmell, Richard E.; Wood, Virginia A. Tetrahedron Letters, 2004 , vol. 45, # 52 p. 9645 - 9647
  • Route3

    References

    • Molino, Bruce F.; Liu, Shuang; Guzzo, Peter R.; Beck, James P. Patent: US2006/52378 A1, 2006 ; Location in patent: Page/Page column 129-131 ; US 20060052378 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.77298
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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